| Chain sequence(s) |
A: MKNEARNLIKELKAGRDLKENVKKYAFLTSTAFTKYAVIRLSMNYFTMLEMLDECDDDRKKETEDIANTVKAAIENAVFEGESFEEDIEKVLARRQEVTEKMKVLTSYTDAMSLFEYVLLRKNPEISVHDVNKEAVAENMFNYVFQDNDKLVVNSKIQSFIAELPVRMTKERFFDIIRNTLMIYKGGEKEAVNDFAEMVRTASLIEKPEGFEKSFPALYDMYKTLSEADLKKLEKSEHLKYSAILEKATEIISSNVTDYLMLEQIINDTLVILLTSKNKIADKMDDSYASAISILKECVAADSIYSLTDKTEDFFISLEGAQEDAYETLANVSSSLFDIYTEYSEVIEEAGMTDVYSGLIKADKLTSTSLFIDLDKEIRVVNDAADDEYIEKVYKDLEEGFRGLFEKLGVSLRRGVMAKVLSVIPVFFNNKEEIKEYFLYALDRCSDETELLASVEIINEMMLGDAANDENYALAA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:14)
[INFO] Main: Simulation completed successfully. (00:09:17)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | -1.2887 | |
| 2 | K | A | -2.4498 | |
| 3 | N | A | -3.1529 | |
| 4 | E | A | -3.4427 | |
| 5 | A | A | 0.0000 | |
| 6 | R | A | -3.7720 | |
| 7 | N | A | -3.5604 | |
| 8 | L | A | 0.0000 | |
| 9 | I | A | -2.1554 | |
| 10 | K | A | -3.3389 | |
| 11 | E | A | -2.9084 | |
| 12 | L | A | 0.0000 | |
| 13 | K | A | -2.8704 | |
| 14 | A | A | -2.1124 | |
| 15 | G | A | -2.3857 | |
| 16 | R | A | -3.4168 | |
| 17 | D | A | -3.3508 | |
| 18 | L | A | -2.5572 | |
| 19 | K | A | -3.5745 | |
| 20 | E | A | -3.4732 | |
| 21 | N | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | K | A | -1.9434 | |
| 24 | K | A | -2.1341 | |
| 25 | Y | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | -0.3298 | |
| 28 | L | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | T | A | 0.0000 | |
| 35 | K | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | M | A | 0.1630 | |
| 44 | N | A | -0.1698 | |
| 45 | Y | A | 0.0000 | |
| 46 | F | A | 0.0000 | |
| 47 | T | A | -0.3043 | |
| 48 | M | A | 0.0000 | |
| 49 | L | A | -1.0228 | |
| 50 | E | A | -1.7069 | |
| 51 | M | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -3.0402 | |
| 54 | E | A | -3.4647 | |
| 55 | C | A | -3.3439 | |
| 56 | D | A | -3.8915 | |
| 57 | D | A | -4.3128 | |
| 58 | D | A | -4.0689 | |
| 59 | R | A | -3.6959 | |
| 60 | K | A | -4.3798 | |
| 61 | K | A | -4.3396 | |
| 62 | E | A | -3.3692 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -3.1110 | |
| 65 | D | A | -3.3402 | |
| 66 | I | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | N | A | -2.3913 | |
| 69 | T | A | -1.6921 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -1.7493 | |
| 72 | A | A | -1.1977 | |
| 73 | A | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | E | A | -2.0699 | |
| 76 | N | A | -1.9504 | |
| 77 | A | A | 0.0000 | |
| 78 | V | A | -1.1590 | |
| 79 | F | A | -1.3305 | |
| 80 | E | A | -2.5834 | |
| 81 | G | A | -2.3130 | |
| 82 | E | A | -2.7147 | |
| 83 | S | A | -2.0109 | |
| 84 | F | A | -1.6611 | |
| 85 | E | A | -3.0145 | |
| 86 | E | A | -3.4180 | |
| 87 | D | A | 0.0000 | |
| 88 | I | A | -1.9547 | |
| 89 | E | A | -3.2888 | |
| 90 | K | A | -2.9383 | |
| 91 | V | A | 0.0000 | |
| 92 | L | A | -1.4296 | |
| 93 | A | A | -1.6794 | |
| 94 | R | A | -2.1699 | |
| 95 | R | A | 0.0000 | |
| 96 | Q | A | -2.6398 | |
| 97 | E | A | -2.8155 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -2.0630 | |
| 100 | E | A | -3.4405 | |
| 101 | K | A | -2.3203 | |
| 102 | M | A | -1.4112 | |
| 103 | K | A | -2.3921 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | T | A | -0.8206 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | T | A | -0.3092 | |
| 110 | D | A | -0.3776 | |
| 111 | A | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | S | A | -0.5409 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | -1.0727 | |
| 117 | Y | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | L | A | 0.1294 | |
| 121 | R | A | 0.0000 | |
| 122 | K | A | -1.4978 | |
| 123 | N | A | -1.1254 | |
| 124 | P | A | -1.8098 | |
| 125 | E | A | -1.8246 | |
| 126 | I | A | -0.7187 | |
| 127 | S | A | -0.1585 | |
| 128 | V | A | 0.2976 | |
| 129 | H | A | -1.2297 | |
| 130 | D | A | -2.3496 | |
| 131 | V | A | -1.7884 | |
| 132 | N | A | -2.4010 | |
| 133 | K | A | -2.4192 | |
| 134 | E | A | -3.0987 | |
| 135 | A | A | -2.0159 | |
| 136 | V | A | -1.7604 | |
| 137 | A | A | 0.0000 | |
| 138 | E | A | -2.9552 | |
| 139 | N | A | -2.5524 | |
| 140 | M | A | 0.0000 | |
| 141 | F | A | -1.9062 | |
| 142 | N | A | -2.1957 | |
| 143 | Y | A | -1.4432 | |
| 144 | V | A | 0.0000 | |
| 145 | F | A | -1.5183 | |
| 146 | Q | A | -1.8964 | |
| 147 | D | A | -2.1429 | |
| 148 | N | A | -2.3876 | |
| 149 | D | A | -2.0925 | |
| 150 | K | A | -1.7181 | |
| 151 | L | A | 0.3783 | |
| 152 | V | A | 0.0757 | |
| 153 | V | A | -0.6349 | |
| 154 | N | A | -0.2513 | |
| 155 | S | A | 0.0580 | |
| 156 | K | A | -0.0962 | |
| 157 | I | A | 0.0000 | |
| 158 | Q | A | -0.2613 | |
| 159 | S | A | -0.3632 | |
| 160 | F | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | -0.2401 | |
| 163 | E | A | -0.4617 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | R | A | -1.1888 | |
| 168 | M | A | -1.1826 | |
| 169 | T | A | -1.9150 | |
| 170 | K | A | -2.8384 | |
| 171 | E | A | -3.6403 | |
| 172 | R | A | -3.7527 | |
| 173 | F | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | D | A | -3.7541 | |
| 176 | I | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | R | A | -2.3185 | |
| 179 | N | A | -1.5464 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | M | A | -0.4034 | |
| 183 | I | A | 1.3437 | |
| 184 | Y | A | -0.3849 | |
| 185 | K | A | -1.9871 | |
| 186 | G | A | -1.8599 | |
| 187 | G | A | -1.4130 | |
| 188 | E | A | -2.1725 | |
| 189 | K | A | -2.3602 | |
| 190 | E | A | -2.3336 | |
| 191 | A | A | -1.9312 | |
| 192 | V | A | 0.0000 | |
| 193 | N | A | -2.2434 | |
| 194 | D | A | -2.8596 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | E | A | -2.6947 | |
| 198 | M | A | -1.2580 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -1.5311 | |
| 201 | T | A | -1.3594 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | I | A | -1.1599 | |
| 206 | E | A | -2.4703 | |
| 207 | K | A | -2.3180 | |
| 208 | P | A | 0.0000 | |
| 209 | E | A | -3.2130 | |
| 210 | G | A | -2.5907 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -2.8664 | |
| 213 | K | A | -2.6244 | |
| 214 | S | A | -1.6898 | |
| 215 | F | A | -0.9597 | |
| 216 | P | A | -1.3717 | |
| 217 | A | A | -1.0250 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | -1.5563 | |
| 220 | D | A | -2.0957 | |
| 221 | M | A | -0.9844 | |
| 222 | Y | A | -1.1296 | |
| 223 | K | A | -2.0848 | |
| 224 | T | A | -1.4042 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.6724 | |
| 227 | E | A | -2.5264 | |
| 228 | A | A | -2.2067 | |
| 229 | D | A | -3.2247 | |
| 230 | L | A | 0.0000 | |
| 231 | K | A | -2.9237 | |
| 232 | K | A | -3.6133 | |
| 233 | L | A | 0.0000 | |
| 234 | E | A | -3.0337 | |
| 235 | K | A | -2.6335 | |
| 236 | S | A | -1.5632 | |
| 237 | E | A | -2.2315 | |
| 238 | H | A | 0.0000 | |
| 239 | L | A | -0.2756 | |
| 240 | K | A | -1.3928 | |
| 241 | Y | A | 0.0000 | |
| 242 | S | A | -0.8313 | |
| 243 | A | A | -1.0012 | |
| 244 | I | A | -1.1404 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -2.8167 | |
| 247 | K | A | -2.4464 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | -1.8380 | |
| 250 | E | A | -2.5539 | |
| 251 | I | A | -1.0791 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -0.8030 | |
| 254 | S | A | -0.5165 | |
| 255 | N | A | 0.0000 | |
| 256 | V | A | 0.1889 | |
| 257 | T | A | 0.1579 | |
| 258 | D | A | 0.0120 | |
| 259 | Y | A | 0.0000 | |
| 260 | L | A | 0.7178 | |
| 261 | M | A | 0.2769 | |
| 262 | L | A | 0.0000 | |
| 263 | E | A | 0.0000 | |
| 264 | Q | A | -0.0123 | |
| 265 | I | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | -0.4446 | |
| 275 | T | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | K | A | -2.1255 | |
| 278 | N | A | -1.1512 | |
| 279 | K | A | -0.9952 | |
| 280 | I | A | -0.7019 | |
| 281 | A | A | -1.0506 | |
| 282 | D | A | -2.1319 | |
| 283 | K | A | -1.5518 | |
| 284 | M | A | -1.6440 | |
| 285 | D | A | -2.6022 | |
| 286 | D | A | -2.3614 | |
| 287 | S | A | -1.2369 | |
| 288 | Y | A | 0.0000 | |
| 289 | A | A | -0.7823 | |
| 290 | S | A | -0.4999 | |
| 291 | A | A | 0.0000 | |
| 292 | I | A | -0.1375 | |
| 293 | S | A | -0.4382 | |
| 294 | I | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | K | A | -1.5409 | |
| 297 | E | A | -1.4600 | |
| 298 | C | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | A | A | -0.9547 | |
| 301 | A | A | -0.9654 | |
| 302 | D | A | -1.6808 | |
| 303 | S | A | -0.8127 | |
| 304 | I | A | -0.3674 | |
| 305 | Y | A | 0.3816 | |
| 306 | S | A | -0.4418 | |
| 307 | L | A | 0.0000 | |
| 308 | T | A | -1.6369 | |
| 309 | D | A | -2.9602 | |
| 310 | K | A | -2.7164 | |
| 311 | T | A | 0.0000 | |
| 312 | E | A | -2.7244 | |
| 313 | D | A | -2.1171 | |
| 314 | F | A | -0.6786 | |
| 315 | F | A | -0.0268 | |
| 316 | I | A | 0.6912 | |
| 317 | S | A | -0.4086 | |
| 318 | L | A | 0.0000 | |
| 319 | E | A | -1.6689 | |
| 320 | G | A | -1.9803 | |
| 321 | A | A | -2.0573 | |
| 322 | Q | A | -2.1903 | |
| 323 | E | A | -3.3954 | |
| 324 | D | A | -3.4206 | |
| 325 | A | A | 0.0000 | |
| 326 | Y | A | -1.5304 | |
| 327 | E | A | -2.7820 | |
| 328 | T | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | -0.8625 | |
| 331 | N | A | -1.2098 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -0.3657 | |
| 334 | S | A | -0.6317 | |
| 335 | S | A | -0.6419 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | -0.0868 | |
| 338 | D | A | -1.8797 | |
| 339 | I | A | 0.0000 | |
| 340 | Y | A | -0.6486 | |
| 341 | T | A | -1.3814 | |
| 342 | E | A | -2.5478 | |
| 343 | Y | A | -2.0625 | |
| 344 | S | A | -2.1767 | |
| 345 | E | A | -3.2313 | |
| 346 | V | A | -2.5977 | |
| 347 | I | A | 0.0000 | |
| 348 | E | A | -3.7902 | |
| 349 | E | A | -3.4492 | |
| 350 | A | A | 0.0000 | |
| 351 | G | A | -2.3134 | |
| 352 | M | A | 0.0000 | |
| 353 | T | A | -1.9994 | |
| 354 | D | A | -2.0253 | |
| 355 | V | A | -0.9789 | |
| 356 | Y | A | 0.0000 | |
| 357 | S | A | -0.7348 | |
| 358 | G | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | K | A | -0.9114 | |
| 362 | A | A | 0.0000 | |
| 363 | D | A | -0.3550 | |
| 364 | K | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | S | A | -0.0324 | |
| 368 | T | A | 0.0285 | |
| 369 | S | A | 0.0824 | |
| 370 | L | A | 0.4368 | |
| 371 | F | A | 0.1304 | |
| 372 | I | A | -0.2914 | |
| 373 | D | A | -2.3687 | |
| 374 | L | A | -2.0221 | |
| 375 | D | A | -3.1470 | |
| 376 | K | A | -3.4347 | |
| 377 | E | A | -2.6338 | |
| 378 | I | A | 0.2954 | |
| 379 | R | A | -1.0168 | |
| 380 | V | A | 1.1368 | |
| 381 | V | A | 0.5088 | |
| 382 | N | A | -1.2816 | |
| 383 | D | A | -2.2726 | |
| 384 | A | A | -2.2314 | |
| 385 | A | A | 0.0000 | |
| 386 | D | A | -3.9476 | |
| 387 | D | A | -3.9507 | |
| 388 | E | A | -3.6094 | |
| 389 | Y | A | -2.6910 | |
| 390 | I | A | 0.0000 | |
| 391 | E | A | -3.1233 | |
| 392 | K | A | -3.4306 | |
| 393 | V | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | K | A | -3.7762 | |
| 396 | D | A | -3.5679 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -3.2060 | |
| 399 | E | A | -3.1694 | |
| 400 | G | A | -2.1029 | |
| 401 | F | A | 0.0000 | |
| 402 | R | A | -2.2996 | |
| 403 | G | A | -1.8111 | |
| 404 | L | A | -1.6055 | |
| 405 | F | A | 0.0000 | |
| 406 | E | A | -2.6663 | |
| 407 | K | A | -2.4501 | |
| 408 | L | A | -0.9714 | |
| 409 | G | A | -0.7664 | |
| 410 | V | A | 0.4926 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | -0.2004 | |
| 413 | R | A | -0.5513 | |
| 414 | R | A | -0.2398 | |
| 415 | G | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | K | A | -0.3403 | |
| 420 | V | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | -0.0621 | |
| 423 | V | A | 0.4735 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | 0.4164 | |
| 426 | V | A | 0.2435 | |
| 427 | F | A | -0.0981 | |
| 428 | F | A | -0.9732 | |
| 429 | N | A | -2.0669 | |
| 430 | N | A | -2.7716 | |
| 431 | K | A | -3.2370 | |
| 432 | E | A | -3.7164 | |
| 433 | E | A | -2.9799 | |
| 434 | I | A | 0.0000 | |
| 435 | K | A | -2.9539 | |
| 436 | E | A | -2.4816 | |
| 437 | Y | A | -1.0513 | |
| 438 | F | A | 0.0000 | |
| 439 | L | A | -1.3234 | |
| 440 | Y | A | -0.7663 | |
| 441 | A | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | D | A | -2.7894 | |
| 444 | R | A | -2.6094 | |
| 445 | C | A | 0.0000 | |
| 446 | S | A | -1.8714 | |
| 447 | D | A | -1.8931 | |
| 448 | E | A | -2.1195 | |
| 449 | T | A | -1.0345 | |
| 450 | E | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | S | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -2.0686 | |
| 457 | I | A | -0.9984 | |
| 458 | I | A | 0.0000 | |
| 459 | N | A | -1.4914 | |
| 460 | E | A | -1.9948 | |
| 461 | M | A | -0.9700 | |
| 462 | M | A | -0.4665 | |
| 463 | L | A | 0.1603 | |
| 464 | G | A | -1.2949 | |
| 465 | D | A | -2.6067 | |
| 466 | A | A | -2.0129 | |
| 467 | A | A | -2.0045 | |
| 468 | N | A | -3.0402 | |
| 469 | D | A | -3.3638 | |
| 470 | E | A | -3.0035 | |
| 471 | N | A | -1.8572 | |
| 472 | Y | A | -0.1919 | |
| 473 | A | A | -0.1907 | |
| 474 | L | A | 0.9027 | |
| 475 | A | A | 0.7363 | |
| 476 | A | A | 0.7288 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine